N-(3-aminopropyl)-1-cyclopropyl-N-(3-methylphenyl)methanesulfonamide

C14H22N2O2S — CID 64989721

IUPACN-(3-aminopropyl)-1-cyclopropyl-N-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(N(CCCN)S(=O)(=O)CC2CC2)c1
InChIInChI=1S/C14H22N2O2S/c1-12-4-2-5-14(10-12)16(9-3-8-15)19(17,18)11-13-6-7-13/h2,4-5,10,13H,3,6-9,11,15H2,1H3
InChIKeyKKUKPQLAKMUELZ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.89
Rot. Bonds7

About N-(3-aminopropyl)-1-cyclopropyl-N-(3-methylphenyl)methanesulfonamide

N-(3-aminopropyl)-1-cyclopropyl-N-(3-methylphenyl)methanesulfonamide (PubChem CID 64989721) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-cyclopropyl-N-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-cyclopropyl-N-(3-methylphenyl)methanesulfonamide
PubChem CID64989721
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(3-aminopropyl)-1-cyclopropyl-N-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(N(CCCN)S(=O)(=O)CC2CC2)c1
InChIInChI=1S/C14H22N2O2S/c1-12-4-2-5-14(10-12)16(9-3-8-15)19(17,18)11-13-6-7-13/h2,4-5,10,13H,3,6-9,11,15H2,1H3
InChIKeyKKUKPQLAKMUELZ-UHFFFAOYSA-N
XLogP1.89
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylsulfonylmethanesulfonamide
CID 82839894
N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide
CID 28766909
N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 43136076
N-(3-aminopropyl)-N-(3-methoxyphenyl)cyclopentanesulfonamide
CID 105360435
N'-(3-methylphenyl)-N'-(oxolan-3-yl)propane-1,3-diamine
CID 63557163
3-[N-(cyclopropylmethylsulfonyl)anilino]propanethioamide
CID 64987930
N-(3-aminopropyl)-N-(3-fluorophenyl)-3-methoxypropane-1-sulfonamide
CID 63290337
2-[3-chloro-N-(cyclopropylmethylsulfonyl)anilino]acetic acid
CID 64988017
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)propanamide
CID 28766915
N-(3-aminopropyl)-1-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide
CID 106825939
N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide
CID 28766933
[3-aminopropyl(cyclopropylsulfamoyl)amino]benzene
CID 114803326

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-cyclopropyl-N-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-1-cyclopropyl-N-(3-methylphenyl)methanesulfonamide (CID 64989721) is N-(3-aminopropyl)-1-cyclopropyl-N-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-1-cyclopropyl-N-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-1-cyclopropyl-N-(3-methylphenyl)methanesulfonamide is Cc1cccc(N(CCCN)S(=O)(=O)CC2CC2)c1.
What is the InChIKey of N-(3-aminopropyl)-1-cyclopropyl-N-(3-methylphenyl)methanesulfonamide?
The InChIKey is KKUKPQLAKMUELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12-4-2-5-14(10-12)16(9-3-8-15)19(17,18)11-13-6-7-13/h2,4-5,10,13H,3,6-9,11,15H2,1H3.
What are the key properties of N-(3-aminopropyl)-1-cyclopropyl-N-(3-methylphenyl)methanesulfonamide?
N-(3-aminopropyl)-1-cyclopropyl-N-(3-methylphenyl)methanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1-cyclopropyl-N-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 64989721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).